1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol

C18H28O3 — CID 62383936

IUPAC1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol
SMILESCC(C)Cc1ccc(C(O)COCC2CCOCC2)cc1
InChIInChI=1S/C18H28O3/c1-14(2)11-15-3-5-17(6-4-15)18(19)13-21-12-16-7-9-20-10-8-16/h3-6,14,16,18-19H,7-13H2,1-2H3
InChIKeyJXXZVWDBUAPKNO-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.36
Rot. Bonds7

About 1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol

1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol (PubChem CID 62383936) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol
PubChem CID62383936
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol
SMILESCC(C)Cc1ccc(C(O)COCC2CCOCC2)cc1
InChIInChI=1S/C18H28O3/c1-14(2)11-15-3-5-17(6-4-15)18(19)13-21-12-16-7-9-20-10-8-16/h3-6,14,16,18-19H,7-13H2,1-2H3
InChIKeyJXXZVWDBUAPKNO-UHFFFAOYSA-N
XLogP3.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 62385198
2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63466664
1-(cyclopropylmethoxymethyl)-4-(2-methylpropyl)benzene
CID 146471368
1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol
CID 62383597
N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine
CID 62382237
3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 63427885
1-(oxan-4-ylmethoxy)butan-2-ol
CID 62383429
2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide
CID 105351507
cyclobutyl-[4-(2-methylpropyl)phenyl]methanol
CID 61099131
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 115561346
1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine
CID 63558840

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol (CID 62383936) is 1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol is CC(C)Cc1ccc(C(O)COCC2CCOCC2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol?
The InChIKey is JXXZVWDBUAPKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-14(2)11-15-3-5-17(6-4-15)18(19)13-21-12-16-7-9-20-10-8-16/h3-6,14,16,18-19H,7-13H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol?
1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol has a molecular weight of 292.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol is sourced from PubChem (CID 62383936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).